N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide

C19H18ClN3O3S — CID 1455394

IUPACN-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(=O)N(Cc1ccco1)c1nc(C(=O)Nc2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C19H18ClN3O3S/c1-3-16(24)23(11-15-5-4-10-26-15)19-22-17(12(2)27-19)18(25)21-14-8-6-13(20)7-9-14/h4-10H,3,11H2,1-2H3,(H,21,25)
InChIKeySTQDZVUOFAEBNS-UHFFFAOYSA-N
MW403.89 g/mol
LogP4.89
Rot. Bonds6

About N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide

N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 1455394) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID1455394
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC NameN-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide
SMILESCCC(=O)N(Cc1ccco1)c1nc(C(=O)Nc2ccc(Cl)cc2)c(C)s1
InChIInChI=1S/C19H18ClN3O3S/c1-3-16(24)23(11-15-5-4-10-26-15)19-22-17(12(2)27-19)18(25)21-14-8-6-13(20)7-9-14/h4-10H,3,11H2,1-2H3,(H,21,25)
InChIKeySTQDZVUOFAEBNS-UHFFFAOYSA-N
XLogP4.89
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide (CID 1455394) is N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide is CCC(=O)N(Cc1ccco1)c1nc(C(=O)Nc2ccc(Cl)cc2)c(C)s1.
What is the InChIKey of N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is STQDZVUOFAEBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-3-16(24)23(11-15-5-4-10-26-15)19-22-17(12(2)27-19)18(25)21-14-8-6-13(20)7-9-14/h4-10H,3,11H2,1-2H3,(H,21,25).
What are the key properties of N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide?
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[furan-2-ylmethyl(propanoyl)amino]-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1455394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).